83ab240921
remove whitespaces
2024-08-06 01:21:02 -04:00
88a32e6916
refactor domain and fix_deform for KOKKOS
2024-08-05 22:01:40 -04:00
97d8ecbac1
Improvements & bug fixes to fix def/press
2024-04-19 15:14:42 -06:00
1359c52f30
include-what-you-use updates
2024-02-27 23:42:24 -05:00
3ff2b1b43b
silence compiler warnings
2024-02-22 05:07:08 -05:00
cd4c97f8d8
doc adjust and code comments
2024-02-21 14:18:26 -07:00
4c0952dc70
Doc file updates, reverting h_rate initialization
2024-02-20 21:02:55 -07:00
3358fe36d1
Fixing bugs in child arg parsing
2024-02-08 21:27:58 -07:00
1afb9e9dcb
Revamping arg parsing in child class, updates to doc pages
2024-02-02 17:10:35 -07:00
e649c0e070
consistent error messages for parent and child class
2024-01-30 20:04:07 -05:00
840577114e
force enumerators to be consistent by moving them to base class declaration
2024-01-30 19:38:58 -05:00
9d46408fa4
delete unused variables
2024-01-30 19:23:40 -05:00
103dc9ef66
fix missing "else" bug
2024-01-30 19:21:48 -05:00
a835c5f3d9
Restoring some error message locations, minor edits
2024-01-30 15:50:40 -07:00
7f152de062
Rewiring arg parsing and data ownership
2024-01-30 15:29:02 -07:00
7c7f07e28d
Misc patches and missed changes
2024-01-22 22:13:29 -07:00
6dc676247f
Merge branch 'stress_deform' of github.com:jtclemm/lammps into stress_deform
2024-01-22 21:25:46 -07:00
87b2662ee9
Moving pressure options to subclass
2024-01-22 21:21:20 -07:00
b94b9a311d
Merge branch 'develop' into stress_deform
2023-12-14 10:02:46 -07:00
5ff16da272
Adding rate cap on vol link pressure
2023-09-21 12:17:47 +02:00
77a5fd16dd
Fixing bug in link pressure
2023-09-19 13:37:47 +02:00
cc9dee5ecd
use references instead of copies when looping over list of selected fixes
2023-08-03 11:00:05 -04:00
ec65fc48ad
Cleaning up files, fixing bug in berendsen
2023-07-18 09:25:22 -06:00
2ef326273d
Fixing bug in max rate threshold
2023-07-15 16:09:53 -06:00
d6532d3550
Adding h_ratelo calculation
2023-06-23 14:13:32 -06:00
60173c477d
Creating persistent h_rate variable
2023-06-14 15:14:19 -06:00
f75eda4bf4
Updating size of set in restart
2023-06-14 14:16:46 -06:00
6de50fbd33
Adding iso options to fix deform
2023-06-14 13:39:24 -06:00
63618d2490
Adding scalar pressure compute
2022-10-24 10:59:22 -06:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
173e2382b3
Adding documentation, various updates
2022-10-22 19:03:52 -06:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
66471c1465
Adding pressure controls and fixing misc errors
2022-10-11 16:52:02 -06:00
b8728884fc
Drafting stress controls in fix deform
2022-10-10 10:33:47 -06:00
22709b73e2
auto loop optimizations
2022-09-10 03:07:28 -04:00
df00d2225a
Remove unused variable
2022-02-10 14:13:55 -05:00
ac815fdfba
use improved accessors for fixes
2022-01-27 22:16:43 -05:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
c9470c6baf
update includes
2021-05-09 11:33:53 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
88bf503451
Merge from master
2020-04-30 08:17:05 -06:00
80311891f1
Merge pull request #1874 from akohlmey/generalize-box-change-detect
...
Refactor handling of box change information from fixes
2020-04-15 11:14:45 -04:00
